3-[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]sulfanylpropanoic acid Openeye Name: 3-[2-(isopropylamino)-1-methyl-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]thio]propanoic acid IUPAC Name: 3-[1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-(isopropylamino)-2-keto-1-methyl-ethyl]thio]propionic acid Formula: C9H17NO3S MolecularWeight: 219.30118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)SCCC(=O)O

Isomeric SMILES

CC(C)NC(=O)C(C)SCCC(=O)O

InChI

InChI=1S/C9H17NO3S/c1-6(2)10-9(13)7(3)14-5-4-8(11)12/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)